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Ornithine Impurity 1

CAT: 1299-RM-O180827-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-O180827-01Size:10 mg
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CAS Number
195868-13-4
Synonyms
(S) -2-amino-5- ((S) -2,5-diaminopentanamido) pentanoic acid
Molecular Formula
C10H22N4O3
Molecular Weight
246.31
Target Alternative Name
Ornithine
Product Name Synonym
(S) -2-amino-5- ((S) -2,5-diaminopentanamido) pentanoic acid

Chemical Information

(S)-2-Amino-5-((S)-2,5-diaminopentanamido)pentanoic acid
CAS Number195868-13-4
PubChem CID131850624
IUPAC Name(2S)-2-amino-5-[[(2S)-2,5-diaminopentanoyl]amino]pentanoic acid
Molecular FormulaC10H22N4O3
Molecular Weight246.31
XLogP-4.4
Topological Polar Surface Area144
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count17
Formal Charge0
Complexity248
SMILES
C(C[C@@H](C(=O)NCCC[C@@H](C(=O)O)N)N)CN
InChI
InChI=1S/C10H22N4O3/c11-5-1-3-7(12)9(15)14-6-2-4-8(13)10(16)17/h7-8H,1-6,11-13H2,(H,14,15)(H,16,17)/t7-,8-/m0/s1
InChIKey
MCMLHDBHZRLOED-YUMQZZPRSA-N
Chemical Structure
2D Structure
2D structure of (S)-2-Amino-5-((S)-2,5-diaminopentanamido)pentanoic acid
CAS: 195868-13-4
CID: 131850624
Formula: C10H22N4O3
MW: 246.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight246.31
XLogP3-4.4
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass246.16919058
Monoisotopic Mass246.16919058
Topological Polar Surface Area144 Ų
Heavy Atom Count17
Formal Charge0
Complexity248
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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